CID 3046643

Brn 1177371

Structural Information

Molecular Formula
C25H32N2O4
SMILES
C1COCCN1CC(CN2CCOCC2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H32N2O4/c28-25(24(21-7-3-1-4-8-21)22-9-5-2-6-10-22)31-23(19-26-11-15-29-16-12-26)20-27-13-17-30-18-14-27/h1-10,23-24H,11-20H2
InChIKey
FDYBQYRLHBUOBX-UHFFFAOYSA-N
Compound name
1,3-dimorpholin-4-ylpropan-2-yl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.2362 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.243476 203.6
[M+Na]+ 447.225418 200.8
[M-H]- 423.228924 210.9
[M+NH4]+ 442.270023 205.1
[M+K]+ 463.199358 199.4
[M+H-H2O]+ 407.233460 190.1
[M+HCOO]- 469.234401 211.2
[M+CH3COO]- 483.250051 208.0
[M+Na-2H]- 445.210866 202.2
[M]+ 424.23565142 197.2
[M]- 424.23674858 197.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.